SCHEMBL8811531

SCHEMBL8811531

CCCCCC(C)CCS([O])(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.47
TP53 P04637 1/20 0.45
OPRM1 P35372 1/20 0.39
CA2 P00918 2/20 0.38
CA1 P00915 2/20 0.38
LMNA P02545 1/20 0.37
FAAH O00519 2/20 0.37
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH4 P08319 1/20 0.35
ADH7 P40394 1/20 0.35
FDPS P14324 3/20 0.34
PRKD3 O94806 1/20 0.34
PRKCG P05129 1/20 0.34
PRKCB P05771 1/20 0.34
PRKCA P17252 1/20 0.34
PRKCH P24723 1/20 0.34
PRKCI P41743 1/20 0.34
PRKCE Q02156 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8813302 0.98 ACE2 (0.50) ACE2TP53OPRM1CA2CA1
SCHEMBL8811497 0.93 ACE2 (0.39) ACE2TP53OPRM1CA2LMNA
SCHEMBL24920097 0.85 ACE2 (0.50) ACE2TP53OPRM1CA2FAAH
SCHEMBL8810920 0.84 ACE2 (0.39) ACE2TP53OPRM1CA2LMNA
SCHEMBL8813085 0.84 TSHR (0.40) TP53CA2CA1
SCHEMBL8810597 0.83 ACE2 (0.38) ACE2TP53OPRM1CA2LMNA
SCHEMBL8811540 0.81 TP53 (0.53) ACE2TP53OPRM1CA2CA1
SCHEMBL8812348 0.80 LMNA (0.56) LMNA
SCHEMBL8813659 0.80 TSHR (0.37) ACE2TP53CA2LMNA
SCHEMBL8812271 0.80 TP53 (0.47) ACE2TP53OPRM1CA2CA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5691319-A ANTICARCINOGENIC AGENTS SANKYO COMPANY, LIMITED (JP) 1997-11-25 US disclosed
EP-0536936-B1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use SANKYO CO (JP) 1996-08-14 EP disclosed
EP-0536936-A1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use Sankyo Company Limited (JP) 1993-04-14 EP disclosed